SCHEMBL7318693

SCHEMBL7318693

CC(C)[C@@H](NC(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALOX5 P09917 1/20 0.43
GAA P10253 2/20 0.41
MME P08473 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
EPHX1 P07099 1/20 0.40
CTSD P07339 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCAT2 O15382 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7311075 1.00 LMNA (0.47) LMNAALOX5GAAMMETSHR
SCHEMBL7315861 0.86 ACP3 (0.47) LMNAALOX5ALDH1A1KMT2AHPGD
SCHEMBL334678 0.84 ALOX5 (0.42) LMNAALOX5MMEALDH1A1TRPM8
SCHEMBL7314848 0.83 MEN1 (0.52) LMNAALOX5TSHRALDH1A1TRPM8
SCHEMBL27488761 0.83 MEN1 (0.52) LMNAALOX5TSHRALDH1A1TRPM8
SCHEMBL7316181 0.83 MEN1 (0.52) LMNAALOX5TSHRALDH1A1TRPM8
Hydrochloric Acid SCHEMBL8614874 0.82 MEN1 (0.51) LMNAALOX5TSHRALDH1A1TRPM8
SCHEMBL7316408 0.81 LMNA (0.50) LMNAALOX5GAATSHRALDH1A1
SCHEMBL7317181 0.76 APAF1 (0.46) LMNAALOX5MMEEPHX1BCAT2
SCHEMBL7318383 0.76 APAF1 (0.46) LMNAALOX5MMEEPHX1BCAT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed